Table 1.
Ionization mode | RT(s) | m/z | Metabolites | Metabolic pathway | VIP | Fold change | p value |
---|---|---|---|---|---|---|---|
ESI (+) | 788.63 | 198.0517674 | sn-Glycerol 3-Phosphoethanolaminesn | Glycerophospholipid metabolism | 1.95 | 1.94 | 0.001 |
ESI (+) | 780.035 | 104.1058352 | Choline | Glycerophospholipid metabolism | 1.29 | 1.38 | 0.0009 |
ESI (+) | 878.204 | 489.1135327 | Gytidine 5’-diphosphocholine | Glycerophospholipid metabolism | 1.84 | 2.13 | 0.032 |
ESI (+) | 915.7575 | 142.0254256 | O-Phosphoethanolamine | Glycerophospholipid metabolism | 1.02 | 1.71 | 0.002 |
ESI (+) | 862.561 | 258.1094388 | Glycerophosphocholine | Glycerophospholipid metabolism | 1.45 | 2.13 | 0.014 |
ESI (+) | 315.6605 | 756.5520133 | PC(16:0/16:0) | Glycerophospholipid metabolism | 1.91 | 0.46 | 0.013 |
ESI (−) | 717.05 | 242.0794821 | Phosphorylcholine | Glycerophospholipid metabolism | 1.62 | 2.39 | 0.012 |
ESI (+) | 363.218 | 285.22 | Eicosapentaenoic acid | Biosynthesis of unsaturated fatty acids | 2.00 | 0.30 | 0.011 |
ESI (−) | 69.324 | 327.2320636 | (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahexaenoic acid | Biosynthesis of unsaturated fatty acids | 12.62 | 0.62 | 0.0058 |
ESI (−) | 356.1175 | 281.2478597 | Oleic acid | Biosynthesis of unsaturated fatty acids | 4.70 | 3.89 | 0.029 |
ESI (−) | 73.247 | 277.2171703 | Alpha-linolenic acid | Biosynthesis of unsaturated fatty acids | 5.06 | 0.67 | 0.039 |
ESI (−) | 302.251 | 391.2844083 | Chenodeoxycholic acid | Primary bile acid biosynthesis | 6.08 | 35.94 | 2.9E−05 |
ESI (+) | 413.101 | 516.2991879 | Taurocholic acid | Primary bile acid biosynthesis | 1.80 | 0.35 | 0.034 |
ESI (+) | 592.106 | 126.0208716 | Taurine | Primary bile acid biosynthesis | 10.12 | 0.41 | 0.002 |
ESI (−) | 267.2065 | 498.2881509 | Taurochenodeoxycholic acid | Primary bile acid biosynthesis | 21.0 | 24.36 | 0.005 |
ESI (−) | 351.388 | 407.2790416 | Cholic acid | Primary bile acid biosynthesis | 2.96 | 0.62 | 0.035 |
ESI (+) | 316.61 | 517.3294166 | Taurodeoxycholic acid | – | 1.37 | 5.88 | 0.004 |
ESI (+) | 326.4925 | 482.2922443 | Tauroursodeoxycholic acid | – | 4.31 | 18.71 | 0.011 |
ESI (−) | 73.91 | 482.2933108 | Taurolithocholic acid | – | 1.60 | 4.36 | 0.003 |
ESI+ electrospray ionization in positive ion mode, ESI− electrospray ionization in negative ion mode, RT retention time, VIP variance importance for projection, PC phosphatidylcholine